MassBank Record: JP002214



 CYCLOPENTANECARBOXYLIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002214
RECORD_TITLE: CYCLOPENTANECARBOXYLIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOPENTANECARBOXYLIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H12O2 CH$EXACT_MASS: 128.08373 CH$SMILES: COC(=O)C(C1)CCC1 CH$IUPAC: InChI=1S/C7H12O2/c1-9-7(8)6-4-2-3-5-6/h6H,2-5H2,1H3
AC$INSTRUMENT: JEOL JMS-01-SG AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kr-9100000000-c00e2b8f297d67e56996 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 42 1.2 12 53 3 30 55 14.5 145 56 0.09 1 65 0.9 9 66 1.8 18 67 12.4 124 68 1 10 69 43 430 70 2.4 24 85 2.1 21 87 99.99 999 88 4.8 48 95 2.4 24 96 2.1 21 97 1.57 16 98 1.5 15 99 0.9 9 100 13.9 139 101 0.18 2 113 1.5 15 127 2.4 24 128 8.7 87 129 1.8 18 //